cross_ligand_similarity#
- plinder.core.scores.cross_ligand_similarity(*, query_ligands: set[str], target_ligands: set[str], metric: str = 'tanimoto_similarity_max') DataFrame[source]#
Query the ligand similarity database for a cross similarity between a set of query and target ligands.
- Parameters:
- query_ligandsset[str]
the set of query ligands
- target_ligandsset[str]
the set of target ligands
- Returns:
- dfpd.DataFrame
the cross similarity results